2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline

C18H23NO2 — CID 60935397

IUPAC2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1ccccc1CNc1ccc(C)cc1OCC
InChIInChI=1S/C18H23NO2/c1-4-20-17-9-7-6-8-15(17)13-19-16-11-10-14(3)12-18(16)21-5-2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyUFOXSKKIXZGCCX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds7

About 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline

2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline (PubChem CID 60935397) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
PubChem CID60935397
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1ccccc1CNc1ccc(C)cc1OCC
InChIInChI=1S/C18H23NO2/c1-4-20-17-9-7-6-8-15(17)13-19-16-11-10-14(3)12-18(16)21-5-2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyUFOXSKKIXZGCCX-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
2-[(2-ethoxyanilino)methyl]-4-methylphenol
CID 63323369
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321
1-(2,4-dimethylphenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 94494107
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline (CID 60935397) is 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline is CCOc1ccccc1CNc1ccc(C)cc1OCC.
What is the InChIKey of 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline?
The InChIKey is UFOXSKKIXZGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-20-17-9-7-6-8-15(17)13-19-16-11-10-14(3)12-18(16)21-5-2/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline?
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline has a molecular weight of 285.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 60935397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).